1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene

C16H11Cl5O2 — CID 54133005

IUPAC1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl5O2/c17-12-4-2-1-3-10(12)9-23-16-13(18)7-11(8-14(16)19)22-6-5-15(20)21/h1-5,7-8H,6,9H2
InChIKeyNVRKVZVXUDTYTL-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.92
Rot. Bonds6

About 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene

1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene (PubChem CID 54133005) has the molecular formula C16H11Cl5O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
PubChem CID54133005
Molecular FormulaC16H11Cl5O2
Molecular Weight412.53 g/mol
Exact Mass409.92
IUPAC Name1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl5O2/c17-12-4-2-1-3-10(12)9-23-16-13(18)7-11(8-14(16)19)22-6-5-15(20)21/h1-5,7-8H,6,9H2
InChIKeyNVRKVZVXUDTYTL-UHFFFAOYSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
2-[2-[[3,5-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-3-methoxybut-2-enoic acid
CID 173157158
1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 23203507
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
CID 18430188
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786
N-[3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propyl]pyridin-2-amine
CID 139724919
N-[5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentoxy]-1-phenylethenamine
CID 57049706

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The IUPAC name of 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene (CID 54133005) is 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene is ClC(Cl)=CCOc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The InChIKey is NVRKVZVXUDTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl5O2/c17-12-4-2-1-3-10(12)9-23-16-13(18)7-11(8-14(16)19)22-6-5-15(20)21/h1-5,7-8H,6,9H2.
What are the key properties of 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene has a molecular weight of 412.53 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene is sourced from PubChem (CID 54133005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).